On 8/29/13 7:43 AM, Valentina wrote:
Hi,
I have no answer to this question, sorry.
But I am trying to simulate the layered structure (also with
periodic_molecule = yes)
I am getting error:
Steepest Descents:
Tolerance (Fmax) = 1.00000e+01
Number of steps = 500
A list of missing interactions:
exclusions of 535 missing 48
-------------------------------------------------------
Program mdrun, VERSION 4.5.5
Source code file: domdec_top.c, line: 173
Software inconsistency error:
Some interactions seem to be assigned multiple times
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
While I do not have this problem when simulating without periodic_molecule =
yes.
I think this is along similar lines of problem,
If you have a question of your own, please start a new topic rather than hijack
someone else's thread.
The problem lies somewhere in the topology, but you haven't told us (1) what the
system is, (2) how you generated its topology, or (3) what is in the topology.
I would recommend you start a new thread (to avoid confusing cross-talk with the
OP's question) with all of that information.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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